Spektraris NMR
Meliastatin 1
Common Name: Meliastatin 1
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C30H48O3/c1-19(10-9-15-26(2,3)33)25-22(31)18-30(8)21-11-12-23-27(4,5)24(32)14-16-28(23,6)20(21)13-17-29(25,30)7/h9,11,15,19-20,22-23,25,31,33H,10,12-14,16-18H2,1-8H3/b15-9+/t19-,20+,22+,23+,25-,28-,29+,30-/m1/s1
InChIKey: InChIKey=OYVJTMFTUKBWID-LKJGIETFSA-N
Formula: C30H48O3
Molecular Weight: 456.701448
Exact Mass: 456.360345
NMR Solvent: CDCl3
MHz:
Calibration:
NMR references: 13C - Pettit, G.R., Numata, A., Iwamoto, C., Morito, H., Yamada, T., Goswami, A., Clewlow, P.J., Cragg, G.M., Schmidt, J.M. J Nat Prod (2002) 65, 1886-91
Species:
Notes: Family : Terpenoids, Type : Triterpenoids, Group : Euphanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH2) | 38.5 |
| 2 (CH2) | 35.1 |
| 3 (C) | 216.8 |
| 4 (C) | 47.9 |
| 5 (CH) | 52.4 |
| 6 (CH2) | 24.4 |
| 7 (CH) | 118.2 |
| 8 (C) | 145 |
| 9 (CH) | 47.9 |
| 10 (C) | 34.9 |
| 11 (CH2) | 18.2 |
| 12 (CH2) | 33.2 |
| 13 (C) | 45.4 |
| 14 (C) | 49.9 |
| 15 (CH2) | 45.7 |
| 16 (CH) | 77.9 |
| 17 (CH) | 62.1 |
| 18 (CH3) | 23.6 |
| 19 (CH3) | 12.8 |
| 20 (CH) | 34.3 |
| 21 (CH3) | 18.7 |
| 22 (CH2) | 38 |
| 23 (CH) | 125.4 |
| 24 (CH) | 139.7 |
| 25 (C) | 70.7 |
| 26 (CH3) | 29.9 |
| 27 (CH3) | 30 |
| 28 (CH3) | 24.5 |
| 29 (CH3) | 21.6 |
| 30 (CH3) | 27.9 |
